1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one

C7H6BrN3O — CID 152678723

IUPAC1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one
SMILESO=C1CNc2ncccc2N1Br
InChIInChI=1S/C7H6BrN3O/c8-11-5-2-1-3-9-7(5)10-4-6(11)12/h1-3H,4H2,(H,9,10)
InChIKeyZNBKITUABFFIIF-UHFFFAOYSA-N
MW228.05 g/mol
LogP1.15
Rot. Bonds

About 1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one

1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 152678723) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is 1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID152678723
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one
SMILESO=C1CNc2ncccc2N1Br
InChIInChI=1S/C7H6BrN3O/c8-11-5-2-1-3-9-7(5)10-4-6(11)12/h1-3H,4H2,(H,9,10)
InChIKeyZNBKITUABFFIIF-UHFFFAOYSA-N
XLogP1.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one (CID 152678723) is 1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one is O=C1CNc2ncccc2N1Br.
What is the InChIKey of 1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is ZNBKITUABFFIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c8-11-5-2-1-3-9-7(5)10-4-6(11)12/h1-3H,4H2,(H,9,10).
What are the key properties of 1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 228.05 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 152678723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).